[4-[[(4-tert-butylphenyl)sulfonyl-(2-methylpropyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [4-[[(4-tert-butylphenyl)sulfonyl-(2-methylpropyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[(4-tert-butylphenyl)sulfonyl-isobutyl-amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[(4-tert-butylphenyl)sulfonyl-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(4-tert-butylphenyl)sulfonyl-(2-methylpropyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[(4-tert-butylphenyl)sulfonyl-isobutyl-amino]methyl]phenyl] ester Formula: C27H32FNO5S2 MolecularWeight: 533.675083

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC(C)CN(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C27H32FNO5S2/c1-20(2)18-29(35(30,31)25-14-8-22(9-15-25)27(3,4)5)19-21-6-12-24(13-7-21)34-36(32,33)26-16-10-23(28)11-17-26/h6-17,20H,18-19H2,1-5H3